Crystal structures of two triazoles

M. A. Sridhar, N. K. Lokanath, J. Shashidhara Prasad, K. S. Rangappa, N. V.Anil Kumar, D. G.Bhadre Gowda

Research output: Contribution to journalArticlepeer-review

4 Citations (Scopus)

Abstract

I. 3,5-diphenyl triazole, C14H11N3, Mr = 221.26, monoclinic, Cc, a = 26.982(6) angstroms, β = 5.6806(14) angstroms, c = 7.439(2) angstroms, β = 105.54(2)°, V = 1098.6(5) angstroms3, Z = 4, Dm = 1.312 gm·cm-3, Dc = 1.338 gm·cm-3, μ = 0.083 cm-1, F000 = 464, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0335 and 0.0985 respectively. Hydrogen bonds of the type CH···N are observed in the crystal structure of the compound. The molecules are packed in layers when viewed along b and c, whereas down a it shows a herringbone type of arrangement. II. 4-phenylimidazole, C9H8N2, Mr = 144.18, monoclinic, Pa, a = 7.0291(13) angstroms, b = 12.5142(8) angstroms, c = 9.4476(12) angstroms, β = 100.639(12)°, V = 816.76(18) angstroms3, Z = 4, Dm = 1.161 gm·cm-3, Dc = 1.172 gm·cm-3, μ = 0.072 cm-1, F000 = 304, (MoKα) = 0.71069 angstrom, final R1 and wR2 are 0.0548 and 0.1526 respectively. Hydrogen bonds of the type CH···N and NH···N are observed in this structure. The hydrogen bonded molecules are stacked in layers when viewed along b.

Original languageEnglish
Pages (from-to)137-146
Number of pages10
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume319
Publication statusPublished - 1998

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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